methyl 6-(1H-benzimidazol-2-ylsulfanyl)pyridine-3-carboxylate

Systemtic Name: methyl 6-(1H-benzimidazol-2-ylsulfanyl)pyridine-3-carboxylate Openeye Name: methyl 6-(1H-benzimidazol-2-ylsulfanyl)pyridine-3-carboxylate CAS Name: 6-(1H-benzimidazol-2-ylthio)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(1H-benzimidazol-2-ylsulfanyl)pyridine-3-carboxylate Traditional Name: 6-(1H-benzimidazol-2-ylthio)nicotinic acid methyl ester Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H11N3O2S/c1-19-13(18)9-6-7-12(15-8-9)20-14-16-10-4-2-3-5-11(10)17-14/h2-8H,1H3,(H,16,17)